[8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone

C24H26N4O5S — CID 52950224

IUPAC[8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOCCNc1ccc2c(c1)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccccc1)CS2(=O)=O
InChIInChI=1S/C24H26N4O5S/c1-32-12-9-25-17-7-8-21-19(15-17)23-20(16-34(21,30)31)22(24(29)27-10-13-33-14-11-27)26-28(23)18-5-3-2-4-6-18/h2-8,15,25H,9-14,16H2,1H3
InChIKeyBZTIAAOQYKUYMP-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.36
Rot. Bonds6

About [8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone

[8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 52950224) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is [8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID52950224
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name[8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOCCNc1ccc2c(c1)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccccc1)CS2(=O)=O
InChIInChI=1S/C24H26N4O5S/c1-32-12-9-25-17-7-8-21-19(15-17)23-20(16-34(21,30)31)22(24(29)27-10-13-33-14-11-27)26-28(23)18-5-3-2-4-6-18/h2-8,15,25H,9-14,16H2,1H3
InChIKeyBZTIAAOQYKUYMP-UHFFFAOYSA-N
XLogP2.36
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (CID 52950224) is [8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is COCCNc1ccc2c(c1)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccccc1)CS2(=O)=O.
What is the InChIKey of [8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is BZTIAAOQYKUYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-32-12-9-25-17-7-8-21-19(15-17)23-20(16-34(21,30)31)22(24(29)27-10-13-33-14-11-27)26-28(23)18-5-3-2-4-6-18/h2-8,15,25H,9-14,16H2,1H3.
What are the key properties of [8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
[8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 482.56 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-methoxyethylamino)-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 52950224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).